SCHEMBL6086715

SCHEMBL6086715

O=C(O)CC1O/C(=C2\C(=O)Nc3ccc(Cl)cc32)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
CHEK1 O14757 1/20 0.41
APEX1 P27695 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TGM2 P21980 2/20 0.39
CES1 P23141 1/20 0.39
PSMD14 O00487 1/20 0.39
ATM Q13315 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ZAP70 P43403 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6086718 1.00 LRRK2 (0.41) LRRK2CHEK1APEX1L3MBTL1TGM2
SCHEMBL14725097 0.91 LRRK2 (0.40) LRRK2CHEK1L3MBTL1TGM2CES1
SCHEMBL6086673 0.88 APEX1 (0.43) LRRK2APEX1TGM2ATMIDO1
SCHEMBL6086671 0.88 APEX1 (0.43) LRRK2APEX1TGM2ATMIDO1
SCHEMBL6087504 0.88 APEX1 (0.43) LRRK2APEX1TGM2ATMIDO1
SCHEMBL13174436 0.81 APEX1 (0.40) LRRK2APEX1TGM2ATMLMNA
SCHEMBL6086819 0.81 APEX1 (0.40) LRRK2APEX1TGM2ATMLMNA
SCHEMBL6086813 0.81 APEX1 (0.40) LRRK2APEX1TGM2ATMLMNA
SCHEMBL6087336 0.81 APEX1 (0.40) LRRK2APEX1TGM2ATMLMNA
SCHEMBL15187524 0.81 APEX1 (0.40) LRRK2APEX1TGM2ATMLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP claimed
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed
US-7060844-B2 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-06-13 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
EP-1490356-A1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-12-29 EP disclosed
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2004-01-29 US disclosed
WO-2003084951-A1 (3Z) -3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 LRRK2 545/4885CHEK1 322/4885APEX1 4151/4885
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 LRRK2 497/4885CHEK1 327/4885APEX1 4077/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.